Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | RARB | P10826 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| 1,4-Diisopentoxybenzene SCHEMBL2846102 | 0.84 | TDP1 (0.79) | TDP1MAPK1EPHX2GAAHTT | |
| SCHEMBL11070864 | 0.79 | LTA4H (0.52) | GAASMN1; SMN2TP53TSHRHSD17B10 | |
| SCHEMBL2841624 | 0.76 | TDP1 (0.68) | TDP1MAPK1EPHX2GAAHTT | |
| 1-Isopentyloxy-4-Methoxybenzene SCHEMBL2848524 | 0.76 | TDP1 (0.68) | TDP1MAPK1EPHX2GAAHTT | |
| SCHEMBL2926534 | 0.76 | TDP1 (0.68) | TDP1MAPK1EPHX2GAAHTT | |
| 1-Isopentyloxy-4-Ethoxybenzene SCHEMBL2839898 | 0.76 | TDP1 (0.68) | TDP1MAPK1EPHX2GAAHTT | |
| SCHEMBL11061508 | 0.76 | NR5A1 (0.56) | GAATP53MAPTTSHRHSD17B10 | |
| SCHEMBL2566452 | 0.75 | TDP1 (1.00) | TDP1MAPK1EPHX2GAAHTT | |
| 1-Hydroxy-4-Isopentoxybenzene SCHEMBL2843554 | 0.75 | TDP1 (0.66) | TDP1MAPK1EPHX2GAAHTT | |
| SCHEMBL11951590 | 0.75 | TDP1 (0.71) | TDP1MAPK1EPHX2GAAHTT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4428889-A | PREPARING THIOPEPTIDES FROM PEPTIDES | BRISTOL-MYERS COMPANY (US) | 1984-01-31 | — | — | US | disclosed |